Materials Data on Lu20Os5I24 by Materials Project

Abstract

Lu20Os5I24 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Lu20Os5I24 ribbon oriented in the (1, 1, 1) direction. there are ten inequivalent Lu sites. In the first Lu site, Lu is bonded in a 5-coordinate geometry to two Os and four I atoms. There are one shorter (2.82 Å) and one longer (2.92 Å) Lu–Os bond lengths. There are a spread of Lu–I bond distances ranging from 3.05–3.79 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to two Os and four I atoms. There are one shorter (2.84 Å) and one longer (2.92 Å) Lu–Os bond lengths. There are a spread of Lu–I bond distances ranging from 3.06–3.86 Å. In the third Lu site, Lu is bonded in a 6-coordinate geometry to two Os and four I atoms. Both Lu–Os bond lengths are 2.84 Å. There are a spread of Lu–I bond distances ranging from 3.12–3.44 Å. In the fourth Lu site, Lu is bonded to two Os and three I atoms to form distorted corner-sharing LuOs2I3 trigonal bipyramids. There are one shorter (2.84 Å) and one longer (2.93 Å) Lu–Os bond lengths. There are one shorter (3.05 Å) and two longer (3.14 Å) Lu–I bond lengths. In the fifth Lu site, Lu is bonded in a 5-coordinate geometry to two Os and four I atoms. There are one shorter (2.82 Å) and one longer (2.90 Å) Lu–Os bond lengths. There are a spread of Lu–I bond distances ranging from 3.06–3.83 Å. In the sixth Lu site, Lu is bonded in a 5-coordinate geometry to two Os and four I atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Lu–Os bond lengths. There are a spread of Lu–I bond distances ranging from 3.11–3.70 Å. In the seventh Lu site, Lu is bonded in a 6-coordinate geometry to two Os and four I atoms. Both Lu–Os bond lengths are 2.81 Å. There are a spread of Lu–I bond distances ranging from 3.11–3.56 Å. In the eighth Lu site, Lu is bonded in a 6-coordinate geometry to two Os and four I atoms. There are one shorter (2.80 Å) and one longer (2.81 Å) Lu–Os bond lengths. There are a spread of Lu–I bond distances ranging from 3.10–3.64 Å. In the ninth Lu site, Lu is bonded in a 6-coordinate geometry to two equivalent Os and four I atoms. Both Lu–Os bond lengths are 2.80 Å. There are a spread of Lu–I bond distances ranging from 3.10–3.41 Å. In the tenth Lu site, Lu is bonded in a 6-coordinate geometry to two equivalent Os and four I atoms. There are one shorter (2.82 Å) and one longer (2.83 Å) Lu–Os bond lengths. There are a spread of Lu–I bond distances ranging from 3.11–3.33 Å. There are three inequivalent Os sites. In the first Os site, Os is bonded in a body-centered cubic geometry to eight Lu atoms. In the second Os site, Os is bonded in a 8-coordinate geometry to eight Lu atoms. In the third Os site, Os is bonded in a 8-coordinate geometry to eight Lu atoms. There are twelve inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two Lu atoms. In the second I site, I is bonded in a 2-coordinate geometry to two Lu atoms. In the third I site, I is bonded in a 3-coordinate geometry to three Lu atoms. In the fourth I site, I is bonded in a 3-coordinate geometry to three Lu atoms. In the fifth I site, I is bonded in a 3-coordinate geometry to three Lu atoms. In the sixth I site, I is bonded in a 3-coordinate geometry to three Lu atoms. In the seventh I site, I is bonded in a 4-coordinate geometry to four Lu atoms. In the eighth I site, I is bonded in a 4-coordinate geometry to four Lu atoms. In the ninth I site, I is bonded in a 4-coordinate geometry to four Lu atoms. In the tenth I site, I is bonded in a 4-coordinate geometry to four Lu atoms. In the eleventh I site, I is bonded in a 4-coordinate geometry to four Lu atoms. In the twelfth I site, I is bonded in a 4-coordinate geometry to three Lu atoms.